montelukast
TL;DR: montelukast (CAS 855473-49-3) is a chemical compound with molecular formula C29H28ClNOS and molecular weight 473.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(3R)-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-sulfanylpropyl]phenyl]propan-2-ol
Also Known As: montelukast, 2-[(3R)-3-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-mercaptopropyl]-alpha,alpha-dimethylbenzenemethanol, 2-[(3R)-3-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-mercaptopropyl]-I+/-,I+/--dimethylbenzenemethanol, 2-[2-[(3R)-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-sulfanylpropyl]phenyl]propan-2-ol
| Molecular Formula | C29H28ClNOS |
|---|---|
| Molecular Weight | 473.16 g/mol |
| LogP | 7.8897 |
| Topological Polar Surface Area | 33.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 473.15802 |
| Heavy Atoms | 33 |
| Complexity | 1292.2927 |
Chemical Identifiers
| CAS Number | 855473-49-3 |
|---|---|
| SMILES | CC(C)(C1=CC=CC=C1CC[C@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)S)O |
Product Overview
montelukast (CAS 855473-49-3), with molecular formula C29H28ClNOS and molecular weight 473.16 g/mol. IUPAC: 2-[2-[(3R)-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-sulfanylpropyl]phenyl]propan-2-ol.
Chemical Property Profile of montelukast
Property Insights of montelukast
The XLogP value of 7.8897 indicates that montelukast is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.12 Ų, montelukast exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, montelukast has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of montelukast?
The CAS number of montelukast is 855473-49-3.
What is the molecular formula of montelukast?
The molecular formula of montelukast is C29H28ClNOS.
What is the molecular weight of montelukast?
The molecular weight of montelukast is 473.16 g/mol.
Where can I buy montelukast?
You can request a quote for montelukast directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for montelukast?
Yes, KEHONG BIO provides custom synthesis services for montelukast and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.